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MMsINC code: MMs00371106

Type: Neutral
Formula: C₂₀H₂₆N₂O

SMILES:

O(C1CCCCC1)c1cc2c3CCCC4NCCn(c34)c2cc1

InChI:

InChI=1/C20H26N2O/c1-2-5-14(6-3-1)23-15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18/h9-10,13-14,18,21H,1-8,11-12H2/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.8237 kcal/mol

Physical Properties
Molecular Weight: 310.441 g/mol	logS: -3.71998	SlogP: 4.69527	Reactive groups: 0

Topological Properties
Globularity: 0.052838	Sterimol/B1: 2.44232	Sterimol/B2: 3.23815	Sterimol/B3: 3.7336
Sterimol/B4: 8.23623	Sterimol/L: 15.5854

Surface and Volume Properties
Accessible surface: 568.472	Positive charged surface: 445.249	Negative charged surface: 118.032	Volume: 319.625
Hydrophobic surface: 532.418	Hydrophilic surface: 36.054

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs00371107
ASINEX-ZINC04794859